Nuclear bomb and ballistics simulations at Los Alamos and BRL, respectively.[1]
Monte Carlo simulation (voted one of the top 10 algorithms of the 20th century by Jack Dongarra and Francis Sullivan in the 2000 issue of Computing in Science and Engineering)[2] is invented at Los Alamos by von Neumann, Ulam and Metropolis.[3][4][5]
W Kohn instigates the development of density functional theory (with LJ Sham and P Hohenberg),[19][20] for which he shared the Nobel Chemistry Prize (1998).[21] This contribution is arguably the first Nobel given for a computer programme or computational technique.
Kawasaki dynamics is invented for the Ising model.[24]
Frenchman Verlet (re)discovers a numerical integration algorithm,[25] (first used in 1791 by Delambre, by Cowell and Crommelin in 1909, and by Carl Fredrik Störmer in 1907,[26] hence the alternative names Störmer's method or the Verlet-Störmer method) for dynamics, and the Verlet list.[25]
Veltman's calculations at CERN lead him and t'Hooft to valuable insights into Renormalizability of Electroweak theory.[32] The computation has been cited as a key reason for the award of the Nobel prize that has been given to both.[33]
Wilson shows that continuum QCD is recovered for an infinitely large lattice with its sites infinitesimally close to one another, thereby beginning lattice QCD.[36]
^Zabusky, N. J.; Kruskal, M. D. (1965). "Interaction of 'solitons' in a collisionless plasma and the recurrence of initial states". Phys. Rev. Lett. 15 (6): 240–243. Bibcode 1965PhRvL..15..240Z. doi:10.1103/PhysRevLett.15.240.
^J. Hardy, Y. Pomeau, and O. de Pazzis (1973). "Time evolution of two-dimensional model system I: invariant states and time correlation functions". Journal of Mathematical Physics, 14:1746–1759.
^J. Hardy, O. de Pazzis, and Y. Pomeau (1976). "Molecular dynamics of a classical lattice gas: Transport properties and time correlation functions". Physical Review A, 13:1949–1961.